SCHEMBL8991584

SCHEMBL8991584

ClCc1cc(OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
MAOB P27338 8/20 0.51
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
MAOA P21397 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9774223 0.87 ALOX5 (0.54) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL1587667 0.85 MRGPRX4 (0.46) ALOX5HTR1ADRD2MTNR1AMTNR1B
SCHEMBL8192001 0.83 ALOX5 (0.54) ALOX5MAOBHTR1ADRD2LMNA
SCHEMBL28330023 0.83 ALOX5 (0.54) ALOX5MAOBHTR1ADRD2LMNA
SCHEMBL4720836 0.83 PTGER1 (0.56)
SCHEMBL2868493 0.83 LTA4H (0.51) HTR1ADRD2LMNASLC6A2SLC6A3
SCHEMBL7446429 0.82 ALOX5 (0.53) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL7450663 0.82 HTR1A (0.51) HTR1ADRD2LMNAGAAMAPT
SCHEMBL27134824 0.82 CCR5 (0.62) MAOBLMNARAB9ASMN1; SMN2
SCHEMBL547985 0.80 HTR1A (0.67) HTR1ADRD2LMNAGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516227-B1 Dry analytical element for lithium assay JOHNSON & JOHNSON CLIN DIAG (US) 1996-07-24 EP disclosed
US-5245021-A Lithium carbonate analysis EASTMAN KODAK COMPANY (US) 1993-09-14 US disclosed
US-5188802-A Containing dye derivative of 14-crown-4 ether; colorimetric analysis EASTMAN KODAK COMPANY (US) 1993-02-23 US disclosed
EP-0516227-A2 Dry analytical element for lithium assay Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-02 EP disclosed
EP-0516226-A1 Novel 14-crown-4-ether derivatives EASTMAN KODAK COMPANY (US) 1992-12-02 EP disclosed
US-5132436-A Intermediates for making 14-crown-4-ether derivatives EASTMAN KODAK COMPANY (US) 1992-07-21 US disclosed